2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole

C10H19N4+ — CID 58741755

IUPAC2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole
SMILESC(CCC1=[NH+]CCN1)CC1=NCCN1
InChIInChI=1S/C10H18N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-8H2,(H,11,12)(H,13,14)/p+1
InChIKeyAYKRGIOUELXFSY-UHFFFAOYSA-O
MW195.29 g/mol
LogP-1.37
Rot. Bonds5

About 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole

2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole (PubChem CID 58741755) has the molecular formula C10H19N4+ and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole
PubChem CID58741755
Molecular FormulaC10H19N4+
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC Name2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole
SMILESC(CCC1=[NH+]CCN1)CC1=NCCN1
InChIInChI=1S/C10H18N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-8H2,(H,11,12)(H,13,14)/p+1
InChIKeyAYKRGIOUELXFSY-UHFFFAOYSA-O
XLogP-1.37
TPSA50.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole (CID 58741755) is 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole is C(CCC1=[NH+]CCN1)CC1=NCCN1.
What is the InChIKey of 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole?
The InChIKey is AYKRGIOUELXFSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-8H2,(H,11,12)(H,13,14)/p+1.
What are the key properties of 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole?
2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole has a molecular weight of 195.29 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)butyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58741755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).